diethyl 2-benzamido-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate

Systemtic Name: diethyl 2-benzamido-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate Openeye Name: diethyl 2-benzamido-2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]propanedioate CAS Name: 2-benzamido-2-[1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]but-3-ynyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzamido-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate Traditional Name: 2-benzamido-2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]malonic acid diethyl ester Formula: C29H34N2O7 MolecularWeight: 522.58946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC#C)C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(CC#C)C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H34N2O7/c1-7-13-23(20-16-18-22(19-17-20)30-27(35)38-28(4,5)6)29(25(33)36-8-2,26(34)37-9-3)31-24(32)21-14-11-10-12-15-21/h1,10-12,14-19,23H,8-9,13H2,2-6H3,(H,30,35)(H,31,32)